Chemical ID: 5982196

c1cc(cc(c1)Cl)n2c(cc(n2)c3ccc(cc3)F)C(=O)NC4CCCCNC4=O
Chemical ID:
5982196
Name [?]:
2-(3-chlorophenyl)-5-(4-fluorophenyl)-N-(2-oxoazepan-3-yl)-pyrazole-3-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)n2c(cc(n2)c3ccc(cc3)F)C(=O)NC4CCCCNC4=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20ClFN4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.8444
Area:625.346
Solvation:-4.78926
Coulombic:-53.3745
Bond Count [?]
All:33
Single:23
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:426.871
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.79
LogP (Chemaxon):3.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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